EVODEX.1-P1750 - Partial Reaction

SMIRKS

[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37](=[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45]([C:46](=[O:47])[O:48][C@:49]([C:50]([O:51][C:52](=[O:53])[C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([C:68]([H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([C:69]([O:70][P:71](=[O:72])([O:73][H:160])[O:74][C:75]([C:76]([N+:77]([C:78]([H:161])([H:162])[H:163])([C:79]([H:164])([H:165])[H:166])[C:80]([H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])[H:176])([H:177])[H:178])([H:179])[H:180])([H:181])[H:182])([H:183])[H:184])([H:185])[H:186])([H:187])[H:188])([H:189])[H:190])[H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])([H:205])[H:206])([H:207])([H:208])[H:209]>>[H]C1=C2C([H])([H])[C@@]([H])(O[C:46]([C:45]([C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38](=[C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([H:207])([H:208])[H:209])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])[H:192])[H:191])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])=[O:47])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]2([H])C1([H])[H].[H][O:48][C@:49]([C:50]([O:51][C:52](=[O:53])[C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([C:68]([H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([C:69]([O:70][P:71](=[O:72])([O:73][H:160])[O:74][C:75]([C:76]([N+:77]([C:78]([H:161])([H:162])[H:163])([C:79]([H:164])([H:165])[H:166])[C:80]([H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])[H:176]

Derived Operators

EVODEX.1-F193 - Elemental Balance

C	27
O	1
H	46

EVODEX.1-M274 - Mass Difference

386.35508

EVODEX.1-E891 - Reaction Operator E

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](-[#6](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]2(-[H])-[#6@]3(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6]4-[#6](-[H])(-[H])-[#6@](-[#8]-[#6:53](=[#8:54])-[#6:55])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-4(-[#6](-[H])(-[H])-[H])-[#6@@]-3(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1-2-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#6:51]-[#8:52]-[H]

EVODEX.1-C324 - Reaction Operator C

[#8:52]-[#6:53]>>[H]-[#6]1=[#6]2-[#6](-[H])(-[H])-[#6@@](-[H])(-[#8]-[#6:53])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-2(-[#6](-[H])(-[H])-[H])-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]3(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-3(-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6@]-2(-[H])-[#6]-1(-[H])-[H].[H]-[#8:52]

EVODEX.1-N375 - Reaction Operator N

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[H]-[#6]1=[#6]2-[#6](-[H])(-[H])-[#6@@](-[H])(-[#8]-[#6:53](=[#8:54])-[#6:55])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-2(-[#6](-[H])(-[H])-[H])-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]3(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-3(-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6@]-2(-[H])-[#6]-1(-[H])-[H].[H]-[#8:52]-[#6:51]

EVODEX.1-Em94 - Reaction Operator Em

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]

EVODEX.1-Cm11 - Reaction Operator Cm

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm127 - Reaction Operator Nm

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]

Source Full Reactions

EVODEX.1-R2340

[H][O:19][C@:18]1([H:100])[C:17]([H:97])([H:98])[C:16]2=[C:15]([H:96])[C:14]([H:94])([H:95])[C@@:13]3([H:93])[C@:12]4([H:92])[C:11]([H:90])([H:91])[C:10]([H:88])([H:89])[C@@:9]([C@@:7]([C:6]([C:5]([C:4]([C:2]([C:1]([H:124])([H:125])[H:126])([C:3]([H:81])([H:82])[H:83])[H:123])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([C:8]([H:84])([H:85])[H:86])[H:116])([H:87])[C@@:27]4([C:28]([H:113])([H:114])[H:115])[C:26]([H:111])([H:112])[C:25]([H:109])([H:110])[C@:24]3([H:108])[C@@:22]2([C:23]([H:105])([H:106])[H:107])[C:21]([H:103])([H:104])[C:20]1([H:101])[H:102].[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37](=[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45]([C:46](=[O:47])[O:48][C@:49]([C:50]([O:51][C:52](=[O:53])[C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([C:68]([H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([C:69]([O:70][P:71](=[O:72])([O:73][H:160])[O:74][C:75]([C:76]([N+:77]([C:78]([H:161])([H:162])[H:163])([C:79]([H:164])([H:165])[H:166])[C:80]([H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])[H:176])([H:177])[H:178])([H:179])[H:180])([H:181])[H:182])([H:183])[H:184])([H:185])[H:186])([H:187])[H:188])([H:189])[H:190])[H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])([H:205])[H:206])([H:207])([H:208])[H:209]>>[C:1]([C:2]([C:3]([H:81])([H:82])[H:83])([C:4]([C:5]([C:6]([C@@:7]([C:8]([H:84])([H:85])[H:86])([C@@:9]1([H:87])[C:10]([H:88])([H:89])[C:11]([H:90])([H:91])[C@@:12]2([H:92])[C@:13]3([H:93])[C:14]([H:94])([H:95])[C:15]([H:96])=[C:16]4[C:17]([H:97])([H:98])[C@:18]([O:19][C:46]([C:45]([C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38](=[C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([H:207])([H:208])[H:209])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])[H:192])[H:191])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])=[O:47])([H:100])[C:20]([H:101])([H:102])[C:21]([H:103])([H:104])[C@:22]4([C:23]([H:105])([H:106])[H:107])[C@@:24]3([H:108])[C:25]([H:109])([H:110])[C:26]([H:111])([H:112])[C@:27]12[C:28]([H:113])([H:114])[H:115])[H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[H:123])([H:124])([H:125])[H:126].[H][O:48][C@:49]([C:50]([O:51][C:52](=[O:53])[C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([C:68]([H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145])([H:146])[H:147])([H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([C:69]([O:70][P:71](=[O:72])([O:73][H:160])[O:74][C:75]([C:76]([N+:77]([C:78]([H:161])([H:162])[H:163])([C:79]([H:164])([H:165])[H:166])[C:80]([H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])[H:176]